1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-yl-nonan-3-yl]pyridin-1-ium

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-yl-nonan-3-yl]pyridin-1-ium Openeye Name: 4-[1-ethyl-5-[1-(3-imidazol-1-ylpropyl)pyridin-1-ium-4-yl]-3-(4-pyridyl)heptyl]-1-methanidyl-pyridin-1-ium CAS Name: 1-[3-(1-imidazolyl)propyl]-4-[7-(1-methanidyl-4-pyridin-1-iumyl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium IUPAC Name: 1-(3-imidazol-1-ylpropyl)-4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium Traditional Name: 4-[1-ethyl-5-[1-(3-imidazol-1-ylpropyl)pyridin-1-ium-4-yl]-3-(4-pyridyl)heptyl]-1-methanidyl-pyridin-1-ium Formula: C31H40N5+ MolecularWeight: 482.6828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CC)C1=CC=[N+](C=C1)CCCN2C=CN=C2)C3=CC=NC=C3)C4=CC=[N+](C=C4)[CH2-]

Isomeric SMILES

CCC(CC(CC(CC)C1=CC=[N+](C=C1)CCCN2C=CN=C2)C3=CC=NC=C3)C4=CC=[N+](C=C4)[CH2-]

InChI

InChI=1S/C31H40N5/c1-4-26(29-9-18-34(3)19-10-29)23-31(28-7-13-32-14-8-28)24-27(5-2)30-11-20-35(21-12-30)16-6-17-36-22-15-33-25-36/h7-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3/q+1